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consecutive testing for hdf5
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@ -44,7 +44,6 @@ libtrio.so: $(OBJECT_FILES) $(HEADER_FILES)
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test: libtrio.so test.c
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test: libtrio.so test.c
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$(CC) $(CFLAGS) $(INCLUDE) -Wl,-rpath,$(PWD) -L. test.c -ltrio $(LIBS) -o test
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$(CC) $(CFLAGS) $(INCLUDE) -Wl,-rpath,$(PWD) -L. test.c -ltrio $(LIBS) -o test
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rm test_write.h5
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clean:
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clean:
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rm -f *.o libtrio.so test test_write.h5
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rm -f *.o libtrio.so test test_write.h5
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20
src/test.c
20
src/test.c
@ -29,8 +29,6 @@ int test_h5write() {
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uint64_t num = 12;
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uint64_t num = 12;
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//double charge[12] = {6., 6., 6., 6., 6., 6., 1., 1., 1., 1., 1., 1.};
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double coord[36] = {
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double coord[36] = {
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0.00000000 , 1.39250319 , 0.00000000 ,
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0.00000000 , 1.39250319 , 0.00000000 ,
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-1.20594314 , 0.69625160 , 0.00000000 ,
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-1.20594314 , 0.69625160 , 0.00000000 ,
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@ -50,15 +48,14 @@ int test_h5write() {
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// works: try writing info in an empty file
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// works: try writing info in an empty file
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rc = trio_write_nucleus_num(file,num);
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rc = trio_write_nucleus_num(file,num);
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// rc = trio_write_nucleus_charge(file,charge);
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rc = trio_write_nucleus_coord(file,coord);
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rc = trio_write_nucleus_coord(file,coord);
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// should not work: try to rewrite the nucleus_num
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// should not work: try to rewrite the nucleus_num
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rc = trio_write_nucleus_num(file,25);
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rc = trio_write_nucleus_num(file,25);
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// works: try to rewrite the nucleus_coord
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// works: try to rewrite the nucleus_coord
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// coord[0] = 666.0;
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coord[0] = 666.666;
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// rc = trio_write_nucleus_coord(file,coord);
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rc = trio_write_nucleus_coord(file,coord);
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if (rc == TRIO_SUCCESS) {
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if (rc == TRIO_SUCCESS) {
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@ -73,25 +70,18 @@ int test_h5write() {
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}
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}
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int test_h5read() {
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int test_h5read() {
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const char* file_name = "test.h5";
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const char* file_name = "test_write.h5";
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trio_t* file = NULL;
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trio_t* file = NULL;
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trio_exit_code rc;
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trio_exit_code rc;
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uint64_t num;
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uint64_t num;
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//double* charge;
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double* coord;
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double* coord;
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file = trio_create(file_name, TRIO_HDF5);
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file = trio_create(file_name, TRIO_HDF5);
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rc = trio_read_nucleus_num(file,&num);
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rc = trio_read_nucleus_num(file,&num);
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assert (num == 4);
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assert (num == 12);
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/*
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charge = (double*) calloc(num, sizeof(double));
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rc = trio_read_nucleus_charge(file,charge);
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assert(charge[] == 1.);
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*/
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coord = (double*) calloc(3*num, sizeof(double));
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coord = (double*) calloc(3*num, sizeof(double));
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rc = trio_read_nucleus_coord(file,coord);
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rc = trio_read_nucleus_coord(file,coord);
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@ -100,7 +90,7 @@ int test_h5read() {
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printf("%lf \n", coord[i]);
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printf("%lf \n", coord[i]);
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}*/
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}*/
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double x = coord[0] - 1.2;
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double x = coord[30] - 2.14171677;
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assert( x*x < 1.e-12);
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assert( x*x < 1.e-12);
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if (rc == TRIO_SUCCESS) {
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if (rc == TRIO_SUCCESS) {
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